Name: Name:3,3,3-Tris(4-chlorophenyl)propionic acid
Brand: Angene
SKU: AG003IBV
Rating: 90 (10 reviews)

3,3,3-Tris(4-chlorophenyl)propionic acid

CAS No.:

2168-06-1

Catalog Number:

AG003IBV

Molecular Formula:

C21H15Cl3O2

Molecular Weight:

405.7016

Catalog Number:

AG003IBV

Chemical Name:

3,3,3-Tris(4-chlorophenyl)propionic acid

CAS Number:

2168-06-1

Molecular Formula:

C21H15Cl3O2

Molecular Weight:

405.7016

MDL Number:

MFCD00010264

IUPAC Name:

3,3,3-tris(4-chlorophenyl)propanoic acid

InChI:

InChI=1S/C21H15Cl3O2/c22-17-7-1-14(2-8-17)21(13-20(25)26,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,13H2,(H,25,26)

InChI Key:

LHIVWYJOCNGZRI-UHFFFAOYSA-N

SMILES:

OC(=O)CC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl

EC Number:

218-509-3

Complexity:

405

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

404.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

405.699g/mol

Monoisotopic Mass:

404.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.7